1-(2-fluoroethyl)-6-methoxyindole-2,3-dione

C11H10FNO3 — CID 80695416

IUPAC1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(CCF)C(=O)C2=O
InChIInChI=1S/C11H10FNO3/c1-16-7-2-3-8-9(6-7)13(5-4-12)11(15)10(8)14/h2-3,6H,4-5H2,1H3
InChIKeyUVOPLCZAVZORDA-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.19
Rot. Bonds3

About 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione

1-(2-fluoroethyl)-6-methoxyindole-2,3-dione (PubChem CID 80695416) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
PubChem CID80695416
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(CCF)C(=O)C2=O
InChIInChI=1S/C11H10FNO3/c1-16-7-2-3-8-9(6-7)13(5-4-12)11(15)10(8)14/h2-3,6H,4-5H2,1H3
InChIKeyUVOPLCZAVZORDA-UHFFFAOYSA-N
XLogP1.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione?
The IUPAC name of 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione (CID 80695416) is 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione is COc1ccc2c(c1)N(CCF)C(=O)C2=O.
What is the InChIKey of 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione?
The InChIKey is UVOPLCZAVZORDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-16-7-2-3-8-9(6-7)13(5-4-12)11(15)10(8)14/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione?
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione has a molecular weight of 223.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-6-methoxyindole-2,3-dione is sourced from PubChem (CID 80695416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).